Oxetan-3-yl 4-methylbenzenesulfonate

Base Information

• Chemical Name: Oxetan-3-yl 4-methylbenzenesulfonate
• CAS No.: 26272-83-3
• Molecular Formula: C10H12O4S
• Molecular Weight: 228.269
• Hs Code.: 29309090
• European Community (EC) Number: 837-979-6
• DSSTox Substance ID: DTXSID00522636
• Wikidata: Q72509239
• Mol file: 26272-83-3.mol

Synonyms:26272-83-3;Oxetan-3-yl 4-methylbenzenesulfonate;TOLUENE-4-SULFONIC ACID OXETAN-3-YL ESTER;3-Oxetanyl tosylate;3-Tosyloxyoxetane;oxetan-3-yl 4-methylbenzene-1-sulfonate;3-OXETANYL P-TOLUENESULFONATE;Oxetan-3-yl-4-methylbenzenesulfonate;3-(tosyloxy)oxetane;MFCD08544401;3-OXETANOL, 3-(4-METHYLBENZENESULFONATE);P-TOLUENESULFONIC ACID 3-OXETANYL ESTER;Oxetan-3-yl4-methylbenzenesulfonate;SCHEMBL181141;DTXSID00522636;UMFWNFVHKAJOSE-UHFFFAOYSA-N;CS1299;AKOS015842519;oxetan-3-yl 4-methyl-benzenesulfonate;GS-5626;PB16036;SY025444;AM20020025;CS-0037430;O0473;EN300-179877;A818354;J-523854;Z1509734634

Chemical Property of Oxetan-3-yl 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 2.18E-05mmHg at 25°C
• Melting Point: 81.0 to 86.0 °C
• Refractive Index: 1.568
• Boiling Point: 371.6 °C at 760 mmHg
• Flash Point: 178.5 °C
• PSA: 60.98000
• Density: 1.34 g/cm³
• LogP: 2.17990
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.04563003
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

98%,99%, ^*data from raw suppliers

Oxetan-3-yl4-Methylbenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2COC2

Technology Process of Oxetan-3-yl 4-methylbenzenesulfonate

There total 2 articles about Oxetan-3-yl 4-methylbenzenesulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

oxetan-3-ol (7748-36-9) + p-toluenesulfonyl chloride (98-59-9) → oxetan-3-yl 4-methylbenzenesulfonate (26272-83-3)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

→ oxetan-3-yl 4-methylbenzenesulfonate (26272-83-3)

Guidance literature:

3-Oxetanol (4), p-TsCl, NaOH;

DOI:10.1021/jo00951a020

Reference yield: 95.0%

oxetan-3-yl 4-methylbenzenesulfonate (26272-83-3) + 4-bromo-phenol (106-41-2) → 3-(4-bromophenoxy)oxetane (1369534-96-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

upstream raw materials:

oxetan-3-ol

p-toluenesulfonyl chloride

Downstream raw materials:

3-Azidooxetane

C₁₇H₁₆O₇S

C₁₃H₁₄O₆

C₁₃H₁₆O₅

Refernces

• 1、 Born, Max,Karaghiosoff, Konstantin,Klap?tke, Thomas M.. "A GAP Replacement: Improved Synthesis of 3-Azidooxetane and Its Homopolymer Based on Sulfonic Acid Esters of Oxetan-3-ol". supporting information. p. 12607 - 12614. Retrieved 2021/09/18.
• 2、 -. "AZA-QUINOLINE COMPOUNDS AND USES THEREOF". Page/Page column 66. . Retrieved 2021/04/02.